2J6P

structure of as-sb reductase from leishmania major

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 45
  • Norm. En. per Res.: -1.8862
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	47.7167	417.569	465.2857	89	6	9	7003	0	40	39
A-C	0.0	23.7105	-9.2932	14.4174	20	0	0	713	0	8	9
A-D	0.0	8.3308	-83.6572	-75.3264	45	3	2	3701	0	18	16
A-E	0.0	5.9383	-83.7648	-77.8265	44	2	2	3684	0	17	15
B-C	0.0	6.0254	-90.9056	-84.8802	45	5	2	3903	0	18	17
B-D	0.0	24.0388	-9.3705	14.6683	19	0	0	673	0	7	9
B-F	0.0	9.5855	-77.3961	-67.8106	45	8	2	3938	0	18	16
C-E	0.0	39.4941	462.805	502.2991	87	9	10	6025	0	39	35
C-F	0.0	0.0	-0.1992	-0.1992	7	0	0	58	0	5	0
D-E	0.0	0.0	-0.3267	-0.3267	8	0	0	87	0	6	0
D-F	-11.1742	51.6019	434.212	474.6397	87	13	10	6290	0	40	37
E-F	0.0	0.0	-30.0515	-30.0515	32	0	0	2028	0	0	3

Interface residues

• A-B: ALA112A, ALA112B, ALA144A, ALA144B, ALA76A, ALA76B, ARG121A, ARG121B, ARG31A, ARG31B, ARG35A, ARG35B, ARG81A, ARG81B, ASN142A, ASN142B, ASP119A, ASP119B, ASP140A, ASP140B, ASP146A, ASP146B, ASP32A, ASP32B, ASP34A, ASP34B, ASP36A, ASP36B, CYS37A, CYS37B, GLN133A, GLN133B, GLN77A, GLN77B, GLU111A, GLU111B, GLU132A, GLU132B, GLU138A, GLU138B, GLU139A, GLU139B, GLY118A, GLY118B, GLY130A, GLY130B, GLY38A, GLY38B, HIS115A, HIS115B, HIS147A, HIS147B, ILE136A, ILE136B, ILE49A, ILE49B, LEU129A, LEU129B, LEU135B, LEU141A, LEU141B, LYS128A, LYS128B, LYS134A, LYS134B, MET125A, MET125B, PRO122A, PRO122B, PRO131A, PRO131B, SER137A, SER137B, SER143A, SER143B, SER33A, SER33B, TRP110A, TRP110B, TYR114A, TYR114B, TYR117A, TYR117B, VAL120A, VAL120B, VAL127A, VAL127B, VAL145A, VAL145B
• A-C: ALA112A, ALA112C, ARG107A, ARG107C, GLN77A, GLN77C, GLU10A, GLU10C, GLU111A, GLU111C, HIS115A, HIS115C, LEU79A, LEU79C, LYS8A, LYS8C, MET116A, MET116C, TYR6A, TYR6C
• A-D: ALA82D, ALA86D, ALA90D, ALA92D, ARG107D, ARG81D, ARG88A, ARG88D, ASN3D, ASN45A, ASN87D, ASP32A, CYS51A, GLN77D, GLU53A, GLU53D, GLU54A, GLU57A, GLU57D, GLY85D, ILE49A, LEU79D, LEU91D, LYS58A, LYS84D, LYS94D, LYS95A, LYS95D, MET46A, MET55A, PHE89D, PRO47A, PRO83D, SER33A, SER50A, SER78D, THR48A, THR48D, THR52A, TYR4D, TYR56A, TYR56D, TYR6D, VAL105D, VAL80D
• A-E: ALA82A, ALA86A, ALA90A, ALA92A, ARG107A, ARG81A, ARG88A, ARG88E, ASN3A, ASN87A, ASP32E, CYS51E, GLN77A, GLU53A, GLU53E, GLU54E, GLU57E, GLY85A, ILE49E, LEU79A, LEU91A, LYS58E, LYS84A, LYS84E, LYS94A, LYS95A, LYS95E, MET46E, MET55E, PHE89A, PRO47E, PRO83A, SER33E, SER50E, SER78A, THR48A, THR48E, THR52E, TYR4A, TYR56A, TYR56E, TYR6A, VAL105A, VAL80A
• B-C: ALA82C, ALA86C, ALA90C, ALA92C, ARG107C, ARG35B, ARG81C, ARG88B, ARG88C, ASN3C, ASN87C, ASP32B, CYS51B, GLN77C, GLU53B, GLU53C, GLU54B, GLU57B, GLU57C, GLY85C, ILE49B, LEU79C, LEU91C, LYS58B, LYS84C, LYS94C, LYS95B, LYS95C, MET46B, MET55B, PHE89C, PRO47B, PRO83C, SER33B, SER50B, SER78C, THR48B, THR48C, THR52B, TYR4C, TYR56B, TYR56C, TYR6C, VAL105C, VAL80C
• B-D: ALA112B, ALA112D, ARG107B, ARG107D, GLN77B, GLN77D, GLU10B, GLU10D, GLU111B, HIS115B, HIS115D, LEU79B, LEU79D, LYS8B, LYS8D, MET116B, MET116D, TYR6B, TYR6D
• B-F: ALA82B, ALA86B, ALA90B, ALA92B, ARG107B, ARG35F, ARG81B, ARG88B, ARG88F, ASN3B, ASN87B, ASP32F, CYS51F, GLN77B, GLU53B, GLU53F, GLU54F, GLU57F, GLY85B, ILE49F, LEU79B, LEU91B, LYS58F, LYS84B, LYS84F, LYS94B, LYS95B, LYS95F, MET46F, MET55F, PHE89B, PRO47F, PRO83B, SER33F, SER50F, SER78B, THR48B, THR48F, THR52F, TYR4B, TYR56B, TYR56F, TYR6B, VAL105B, VAL80B
• C-E: ALA112C, ALA112E, ALA144C, ALA144E, ALA76C, ALA76E, ARG121C, ARG31C, ARG31E, ARG35C, ARG35E, ARG81C, ARG81E, ASN142C, ASN142E, ASP119C, ASP119E, ASP140C, ASP140E, ASP146C, ASP146E, ASP32C, ASP32E, ASP34C, ASP34E, ASP36C, ASP36E, CYS37C, CYS37E, GLN133C, GLN133E, GLN77C, GLN77E, GLU111C, GLU111E, GLU132C, GLU132E, GLU138C, GLU138E, GLU139C, GLU139E, GLY118C, GLY118E, GLY130C, GLY130E, GLY38C, GLY38E, HIS115C, HIS115E, HIS147C, HIS147E, ILE136C, ILE136E, ILE49C, ILE49E, LEU129C, LEU129E, LEU135C, LEU135E, LEU141C, LEU141E, LYS128C, LYS128E, LYS134C, LYS134E, MET125C, PRO122C, PRO122E, PRO131C, PRO131E, SER137C, SER137E, SER143C, SER143E, SER33C, SER33E, TRP110C, TRP110E, TYR114C, TYR114E, TYR117C, VAL120C, VAL120E, VAL127C, VAL127E, VAL145C, VAL145E
• C-F: ARG88C, GLU53F, ILE49C, LEU91F, LYS84C, LYS95F, SER50C
• D-E: ARG88D, ARG88E, GLU53E, ILE49D, LEU91E, LYS84D, LYS95E, SER50D
• D-F: ALA112D, ALA112F, ALA144D, ALA144F, ALA76D, ALA76F, ARG121D, ARG31D, ARG31F, ARG35D, ARG35F, ARG81D, ARG81F, ASN142D, ASN142F, ASP119D, ASP119F, ASP140D, ASP140F, ASP146D, ASP146F, ASP32D, ASP32F, ASP34D, ASP34F, ASP36D, ASP36F, CYS37D, CYS37F, GLN133D, GLN133F, GLN77D, GLN77F, GLU111D, GLU111F, GLU132D, GLU132F, GLU138D, GLU138F, GLU139D, GLU139F, GLY118D, GLY118F, GLY130D, GLY130F, GLY38D, GLY38F, HIS115D, HIS115F, HIS147D, HIS147F, ILE136D, ILE136F, ILE49D, ILE49F, LEU129D, LEU129F, LEU141D, LEU141F, LYS128D, LYS128F, LYS134D, LYS134F, MET125D, MET125F, PRO122D, PRO122F, PRO131D, PRO131F, SER137D, SER137F, SER143D, SER143F, SER33D, SER33F, TRP110D, TRP110F, TYR114D, TYR114F, TYR117D, TYR117F, VAL120D, VAL120F, VAL127D, VAL127F, VAL145D, VAL145F
• E-F: ALA86E, ALA90E, ALA90F, ARG107E, ARG107F, ARG81F, ARG88E, ARG88F, ASN3E, ASN3F, ASN87E, ASN87F, GLN77E, GLN77F, LEU79E, LEU79F, LEU91E, LEU91F, LYS84E, LYS84F, PRO83E, PRO83F, SER78E, SER78F, THR5E, THR5F, TYR4E, TYR4F, TYR6E, TYR6F, VAL80E, VAL80F